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N-[4-(azepan-1-ylsulfonyl)phenyl]-4-nitrobenzamide
TL;DR: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-nitrobenzamide (CAS 316150-65-9) is a chemical compound with molecular formula C19H21N3O5S and molecular weight 403.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-nitrobenzamide
Also Known As: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-nitrobenzamide, BAS 01110291, N-(4-(azepan-1-ylsulfonyl)phenyl)-4-nitrobenzamide, N-[4-(AZEPANE-1-SULFONYL)PHENYL]-4-NITROBENZAMIDE, AN-329/12987063
| Molecular Formula | C19H21N3O5S |
|---|---|
| Molecular Weight | 403.12 g/mol |
| LogP | 3.4118 |
| Topological Polar Surface Area | 109.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.12018 |
| Heavy Atoms | 28 |
| Complexity | 948.06854 |
Chemical Identifiers
| CAS Number | 316150-65-9 |
|---|---|
| SMILES | C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-nitrobenzamide (CAS 316150-65-9), with molecular formula C19H21N3O5S and molecular weight 403.12 g/mol. IUPAC: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-nitrobenzamide.
Chemical Property Profile of N-[4-(azepan-1-ylsulfonyl)phenyl]-4-nitrobenzamide
Property Insights of N-[4-(azepan-1-ylsulfonyl)phenyl]-4-nitrobenzamide
The XLogP value of 3.4118 indicates that N-[4-(azepan-1-ylsulfonyl)phenyl]-4-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.62 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-(azepan-1-ylsulfonyl)phenyl]-4-nitrobenzamide. Following Lipinski's Rule of Five, N-[4-(azepan-1-ylsulfonyl)phenyl]-4-nitrobenzamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[4-(azepan-1-ylsulfonyl)phenyl]-4-nitrobenzamide?
The CAS number of N-[4-(azepan-1-ylsulfonyl)phenyl]-4-nitrobenzamide is 316150-65-9.
What is the molecular formula of N-[4-(azepan-1-ylsulfonyl)phenyl]-4-nitrobenzamide?
The molecular formula of N-[4-(azepan-1-ylsulfonyl)phenyl]-4-nitrobenzamide is C19H21N3O5S.
What is the molecular weight of N-[4-(azepan-1-ylsulfonyl)phenyl]-4-nitrobenzamide?
The molecular weight of N-[4-(azepan-1-ylsulfonyl)phenyl]-4-nitrobenzamide is 403.12 g/mol.
Where can I buy N-[4-(azepan-1-ylsulfonyl)phenyl]-4-nitrobenzamide?
You can request a quote for N-[4-(azepan-1-ylsulfonyl)phenyl]-4-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-(azepan-1-ylsulfonyl)phenyl]-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(azepan-1-ylsulfonyl)phenyl]-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.